[4-[[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-(5-fluoro-2-methoxyphenyl)methanone

C26H24ClFN4O2 — CID 129225877

IUPAC[4-[[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-(5-fluoro-2-methoxyphenyl)methanone
SMILESCOc1ccc(F)cc1C(=O)N1CCN(Cc2c(-c3ccc(Cl)cc3)nc3ccccn23)CC1
InChIInChI=1S/C26H24ClFN4O2/c1-34-23-10-9-20(28)16-21(23)26(33)31-14-12-30(13-15-31)17-22-25(18-5-7-19(27)8-6-18)29-24-4-2-3-11-32(22)24/h2-11,16H,12-15,17H2,1H3
InChIKeyCAYLWTRKCYVMSQ-UHFFFAOYSA-N
MW478.96 g/mol
LogP4.76
Rot. Bonds5

About [4-[[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-(5-fluoro-2-methoxyphenyl)methanone

[4-[[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-(5-fluoro-2-methoxyphenyl)methanone (PubChem CID 129225877) has the molecular formula C26H24ClFN4O2 and a molecular weight of 478.96 g/mol. Its IUPAC name is [4-[[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-(5-fluoro-2-methoxyphenyl)methanone.

Molecular Properties

Compound Name[4-[[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-(5-fluoro-2-methoxyphenyl)methanone
PubChem CID129225877
Molecular FormulaC26H24ClFN4O2
Molecular Weight478.96 g/mol
Exact Mass478.16
IUPAC Name[4-[[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-(5-fluoro-2-methoxyphenyl)methanone
SMILESCOc1ccc(F)cc1C(=O)N1CCN(Cc2c(-c3ccc(Cl)cc3)nc3ccccn23)CC1
InChIInChI=1S/C26H24ClFN4O2/c1-34-23-10-9-20(28)16-21(23)26(33)31-14-12-30(13-15-31)17-22-25(18-5-7-19(27)8-6-18)29-24-4-2-3-11-32(22)24/h2-11,16H,12-15,17H2,1H3
InChIKeyCAYLWTRKCYVMSQ-UHFFFAOYSA-N
XLogP4.76
TPSA50.08 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.96
LogP ≤ 54.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

CID 68234908
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CID 71816518
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CID 129225985
CID 129225985
CID 24945827
CID 24945827
CID 24945828
CID 24945828
CID 68235029
CID 68235029
CID 24944913
CID 24944913
CID 5330632
CID 5330632
CID 25140330
CID 25140330
CID 168289645
CID 168289645
CID 718197
CID 718197
CID 7080312
CID 7080312

Frequently Asked Questions

What is the IUPAC name of [4-[[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-(5-fluoro-2-methoxyphenyl)methanone?
The IUPAC name of [4-[[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-(5-fluoro-2-methoxyphenyl)methanone (CID 129225877) is [4-[[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-(5-fluoro-2-methoxyphenyl)methanone.
What is the SMILES notation for [4-[[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-(5-fluoro-2-methoxyphenyl)methanone?
The canonical SMILES for [4-[[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-(5-fluoro-2-methoxyphenyl)methanone is COc1ccc(F)cc1C(=O)N1CCN(Cc2c(-c3ccc(Cl)cc3)nc3ccccn23)CC1.
What is the InChIKey of [4-[[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-(5-fluoro-2-methoxyphenyl)methanone?
The InChIKey is CAYLWTRKCYVMSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24ClFN4O2/c1-34-23-10-9-20(28)16-21(23)26(33)31-14-12-30(13-15-31)17-22-25(18-5-7-19(27)8-6-18)29-24-4-2-3-11-32(22)24/h2-11,16H,12-15,17H2,1H3.
What are the key properties of [4-[[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-(5-fluoro-2-methoxyphenyl)methanone?
[4-[[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-(5-fluoro-2-methoxyphenyl)methanone has a molecular weight of 478.96 g/mol, XLogP of 4.76, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-(5-fluoro-2-methoxyphenyl)methanone is sourced from PubChem (CID 129225877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).